N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide

C18H18FNO2 — CID 110751168

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)C1CCOc2ccccc21
InChIInChI=1S/C18H18FNO2/c1-20(18(21)12-13-6-8-14(19)9-7-13)16-10-11-22-17-5-3-2-4-15(16)17/h2-9,16H,10-12H2,1H3
InChIKeyIXWWLZDGPGVFOH-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.35
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 110751168) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID110751168
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(F)cc1)C1CCOc2ccccc21
InChIInChI=1S/C18H18FNO2/c1-20(18(21)12-13-6-8-14(19)9-7-13)16-10-11-22-17-5-3-2-4-15(16)17/h2-9,16H,10-12H2,1H3
InChIKeyIXWWLZDGPGVFOH-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
CID 110751156
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110750956
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 134791910
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 110750957
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide (CID 110751168) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(F)cc1)C1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is IXWWLZDGPGVFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-20(18(21)12-13-6-8-14(19)9-7-13)16-10-11-22-17-5-3-2-4-15(16)17/h2-9,16H,10-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 299.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 110751168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).